2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohepta-1,3,5-triene-1-carboxamide

C15H19F3N2O — CID 143291003

IUPAC2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohepta-1,3,5-triene-1-carboxamide
SMILESCC1CCN(C2=C(C(N)=O)CC=CC(C(F)(F)F)=C2)CC1
InChIInChI=1S/C15H19F3N2O/c1-10-5-7-20(8-6-10)13-9-11(15(16,17)18)3-2-4-12(13)14(19)21/h2-3,9-10H,4-8H2,1H3,(H2,19,21)
InChIKeyUMGFYXIGGFNVDU-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.91
Rot. Bonds2

About 2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohepta-1,3,5-triene-1-carboxamide

2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohepta-1,3,5-triene-1-carboxamide (PubChem CID 143291003) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohepta-1,3,5-triene-1-carboxamide.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohepta-1,3,5-triene-1-carboxamide
PubChem CID143291003
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohepta-1,3,5-triene-1-carboxamide
SMILESCC1CCN(C2=C(C(N)=O)CC=CC(C(F)(F)F)=C2)CC1
InChIInChI=1S/C15H19F3N2O/c1-10-5-7-20(8-6-10)13-9-11(15(16,17)18)3-2-4-12(13)14(19)21/h2-3,9-10H,4-8H2,1H3,(H2,19,21)
InChIKeyUMGFYXIGGFNVDU-UHFFFAOYSA-N
XLogP2.91
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohepta-1,3,5-triene-1-carboxamide?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohepta-1,3,5-triene-1-carboxamide (CID 143291003) is 2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohepta-1,3,5-triene-1-carboxamide.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohepta-1,3,5-triene-1-carboxamide?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohepta-1,3,5-triene-1-carboxamide is CC1CCN(C2=C(C(N)=O)CC=CC(C(F)(F)F)=C2)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohepta-1,3,5-triene-1-carboxamide?
The InChIKey is UMGFYXIGGFNVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-10-5-7-20(8-6-10)13-9-11(15(16,17)18)3-2-4-12(13)14(19)21/h2-3,9-10H,4-8H2,1H3,(H2,19,21).
What are the key properties of 2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohepta-1,3,5-triene-1-carboxamide?
2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohepta-1,3,5-triene-1-carboxamide has a molecular weight of 300.32 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohepta-1,3,5-triene-1-carboxamide is sourced from PubChem (CID 143291003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).